1-(4-methylpiperidin-1-yl)-3-(2-pyridin-2-ylimidazol-1-yl)propan-2-ol

C17H24N4O — CID 109411363

IUPAC1-(4-methylpiperidin-1-yl)-3-(2-pyridin-2-ylimidazol-1-yl)propan-2-ol
SMILESCC1CCN(CC(O)Cn2ccnc2-c2ccccn2)CC1
InChIInChI=1S/C17H24N4O/c1-14-5-9-20(10-6-14)12-15(22)13-21-11-8-19-17(21)16-4-2-3-7-18-16/h2-4,7-8,11,14-15,22H,5-6,9-10,12-13H2,1H3
InChIKeyPXYGWWWKYAUDRH-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.04
Rot. Bonds5

About 1-(4-methylpiperidin-1-yl)-3-(2-pyridin-2-ylimidazol-1-yl)propan-2-ol

1-(4-methylpiperidin-1-yl)-3-(2-pyridin-2-ylimidazol-1-yl)propan-2-ol (PubChem CID 109411363) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)-3-(2-pyridin-2-ylimidazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)-3-(2-pyridin-2-ylimidazol-1-yl)propan-2-ol
PubChem CID109411363
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name1-(4-methylpiperidin-1-yl)-3-(2-pyridin-2-ylimidazol-1-yl)propan-2-ol
SMILESCC1CCN(CC(O)Cn2ccnc2-c2ccccn2)CC1
InChIInChI=1S/C17H24N4O/c1-14-5-9-20(10-6-14)12-15(22)13-21-11-8-19-17(21)16-4-2-3-7-18-16/h2-4,7-8,11,14-15,22H,5-6,9-10,12-13H2,1H3
InChIKeyPXYGWWWKYAUDRH-UHFFFAOYSA-N
XLogP2.04
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)-3-(2-pyridin-2-ylimidazol-1-yl)propan-2-ol?
The IUPAC name of 1-(4-methylpiperidin-1-yl)-3-(2-pyridin-2-ylimidazol-1-yl)propan-2-ol (CID 109411363) is 1-(4-methylpiperidin-1-yl)-3-(2-pyridin-2-ylimidazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)-3-(2-pyridin-2-ylimidazol-1-yl)propan-2-ol?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)-3-(2-pyridin-2-ylimidazol-1-yl)propan-2-ol is CC1CCN(CC(O)Cn2ccnc2-c2ccccn2)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)-3-(2-pyridin-2-ylimidazol-1-yl)propan-2-ol?
The InChIKey is PXYGWWWKYAUDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-14-5-9-20(10-6-14)12-15(22)13-21-11-8-19-17(21)16-4-2-3-7-18-16/h2-4,7-8,11,14-15,22H,5-6,9-10,12-13H2,1H3.
What are the key properties of 1-(4-methylpiperidin-1-yl)-3-(2-pyridin-2-ylimidazol-1-yl)propan-2-ol?
1-(4-methylpiperidin-1-yl)-3-(2-pyridin-2-ylimidazol-1-yl)propan-2-ol has a molecular weight of 300.41 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)-3-(2-pyridin-2-ylimidazol-1-yl)propan-2-ol is sourced from PubChem (CID 109411363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).